6-(1,1,2,2,2-pentafluoroethyl)-1,4-dihydroquinoxaline-2,3-dione

C10H5F5N2O2 — CID 12871985

IUPAC6-(1,1,2,2,2-pentafluoroethyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(C(F)(F)C(F)(F)F)cc2[nH]c1=O
InChIInChI=1S/C10H5F5N2O2/c11-9(12,10(13,14)15)4-1-2-5-6(3-4)17-8(19)7(18)16-5/h1-3H,(H,16,18)(H,17,19)
InChIKeyRGQBRYCBKUHOSN-UHFFFAOYSA-N
MW280.15 g/mol
LogP1.87
Rot. Bonds1

About 6-(1,1,2,2,2-pentafluoroethyl)-1,4-dihydroquinoxaline-2,3-dione

6-(1,1,2,2,2-pentafluoroethyl)-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 12871985) has the molecular formula C10H5F5N2O2 and a molecular weight of 280.15 g/mol. Its IUPAC name is 6-(1,1,2,2,2-pentafluoroethyl)-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-(1,1,2,2,2-pentafluoroethyl)-1,4-dihydroquinoxaline-2,3-dione
PubChem CID12871985
Molecular FormulaC10H5F5N2O2
Molecular Weight280.15 g/mol
Exact Mass280.03
IUPAC Name6-(1,1,2,2,2-pentafluoroethyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(C(F)(F)C(F)(F)F)cc2[nH]c1=O
InChIInChI=1S/C10H5F5N2O2/c11-9(12,10(13,14)15)4-1-2-5-6(3-4)17-8(19)7(18)16-5/h1-3H,(H,16,18)(H,17,19)
InChIKeyRGQBRYCBKUHOSN-UHFFFAOYSA-N
XLogP1.87
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 6-(1,1,2,2,2-pentafluoroethyl)-1,4-dihydroquinoxaline-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,2,2,2-pentafluoroethyl)-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-(1,1,2,2,2-pentafluoroethyl)-1,4-dihydroquinoxaline-2,3-dione (CID 12871985) is 6-(1,1,2,2,2-pentafluoroethyl)-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-(1,1,2,2,2-pentafluoroethyl)-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-(1,1,2,2,2-pentafluoroethyl)-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2ccc(C(F)(F)C(F)(F)F)cc2[nH]c1=O.
What is the InChIKey of 6-(1,1,2,2,2-pentafluoroethyl)-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is RGQBRYCBKUHOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F5N2O2/c11-9(12,10(13,14)15)4-1-2-5-6(3-4)17-8(19)7(18)16-5/h1-3H,(H,16,18)(H,17,19).
What are the key properties of 6-(1,1,2,2,2-pentafluoroethyl)-1,4-dihydroquinoxaline-2,3-dione?
6-(1,1,2,2,2-pentafluoroethyl)-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 280.15 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,2,2,2-pentafluoroethyl)-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 12871985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).